Structure

Basic information

Pretty formulaFe3P2H3O11
Full formulaFe12P8H12O44
TagsTriiron(III) trihydroxide bis(phosphate(V));
Kryzhanovskite
Constituent elementsFe; H; O; P;
Number of elements4
Number of sites76
Volume774.78365 Å3
Density3.50203 g/cm3
Source Materials Project

Space group

Spacegroup Number60
Hermann MauguinPbcn
Hall-P 2n 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a8.137 Å b9.619 Å c9.899 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-496.01255 eV -6.52648 eV -2.09073 eV 2.06590 eV 59.96155 eV 0.03183 eV